2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid

C15H14F3N5O2 — CID 19625269

IUPAC2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)O)c2n1
InChIInChI=1S/C15H14F3N5O2/c1-7-9(5-22(3)20-7)11-4-10(15(16,17)18)13-8(2)21-23(6-12(24)25)14(13)19-11/h4-5H,6H2,1-3H3,(H,24,25)
InChIKeyWYWZDUUJDLRUID-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.55
Rot. Bonds3

About 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid

2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid (PubChem CID 19625269) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
PubChem CID19625269
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)O)c2n1
InChIInChI=1S/C15H14F3N5O2/c1-7-9(5-22(3)20-7)11-4-10(15(16,17)18)13-8(2)21-23(6-12(24)25)14(13)19-11/h4-5H,6H2,1-3H3,(H,24,25)
InChIKeyWYWZDUUJDLRUID-UHFFFAOYSA-N
XLogP2.55
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767128
2-(1H-pyrazolo(3,4-b)pyridin-1-yl)acetic acid
CID 58622961
1,4,6-trimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridine
CID 4209966
3-[3-Methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride
CID 6603642
1-[1-Methyl-3-[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol
CID 137645038
3-[[1-Methyl-3-[1-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanoic acid
CID 137662081
5-(1-Ethyl-3-methyl-4-pyrazolyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid
CID 3245944
Methyl 7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate
CID 11188620
ethyl 5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 1259796
5-methyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1480657
5,7-dimethyl-2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 3788342
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
CID 25247860

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid (CID 19625269) is 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid is Cc1nn(C)cc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)O)c2n1.
What is the InChIKey of 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
The InChIKey is WYWZDUUJDLRUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-7-9(5-22(3)20-7)11-4-10(15(16,17)18)13-8(2)21-23(6-12(24)25)14(13)19-11/h4-5H,6H2,1-3H3,(H,24,25).
What are the key properties of 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid has a molecular weight of 353.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-dimethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 19625269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).